p-Fluorobenzophenone
- Formula: C13H9FO
- Molecular weight: 200.2084
- IUPAC Standard InChI: InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
- IUPAC Standard InChIKey: OGTSHGYHILFRHD-UHFFFAOYSA-N
- CAS Registry Number: 345-83-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 4-Fluorobenzophenone; Methanone, (4-fluorophenyl)phenyl-; Benzophenone, 4-fluoro-
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Gas phase ion energetics data
Go To: Top, IR Spectrum, UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.62 ± 0.10 | IMRE | Grimsrud, Caldwell, et al., 1985 | ΔGea(423 K) = -15.8 kcal/mol; ΔSea (estimated) = +3.5 eu. |
| 0.729 ± 0.087 | IMRE | Huh, Kang, et al., 1999 | ΔG(EA) 343K; anchored to ΔG value. Including anchor ΔS, EA is ca. 0.4 kcal/mol more bound. |
| 0.724 ± 0.048 | IMRE | Fukuda and McIver, 1985 | ΔGea(355 K) = -17.9 kcal/mol; ΔSea = 3.5, est. from data in Kebarle and Chowdhury, 1987 |
IR Spectrum
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLUTION (10% IN CCl4 FOR 3800-1333, 10% IN CS2 FOR 1333-460 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (2% IN CCl4 FOR 3800-1330, 2% IN CS2 FOR 1330-400 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Lang (editor), 1968 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 19115 |
| Instrument | Unicam SP 700 |
| Melting point | 43-45 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Grimsrud, Caldwell, et al., 1985
Grimsrud, E.; Caldwell, G.; Kebarle, P.,
Electron affinities from electron transfer equilibria: A- + B = A + B-,
J. Am. Chem. Soc., 1985, 107, 4627. [all data]
Huh, Kang, et al., 1999
Huh, C.; Kang, C.H.; Lee, H.W.; Nakamura, H.; Mishima, M.; Tsuno, Y.; Yamataka, H.,
Thermodynamic stabilities and resonance demand of aromatic radical anions in the gas phase,
Bull. Chem. Soc. Japan, 1999, 72, 5, 1083-1091, https://doi.org/10.1246/bcsj.72.1083
. [all data]
Fukuda and McIver, 1985
Fukuda, E.K.; McIver, R.T., Jr.,
Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones. [Anchored to EA(SO2) from 74CEL/BEN],
J. Am. Chem. Soc., 1985, 107, 2291. [all data]
Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S.,
Electron affinities and electron transfer reactions,
Chem. Rev., 1987, 87, 513. [all data]
Lang (editor), 1968
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1968, 10, 87. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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